SCHEMBL4334222

SCHEMBL4334222

CCOc1ccc(CC(OC(C)C)C(=O)O)cc1COC(=O)Nc1ccc(OC)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
FPR2 P25090 1/20 0.43
GAA P10253 2/20 0.42
KMT2A Q03164 4/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 3/20 0.41
LDHA P00338 1/20 0.41
PTPN1 P18031 1/20 0.40
QPCT Q16769 1/20 0.40
PPARG P37231 1/20 0.40
LMNA P02545 1/20 0.39
PSMB5 P28074 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13810555 0.91 PPARG (0.41) SMN1; SMN2FPR2KMT2APTPN1PPARG
SCHEMBL13810554 0.89 PPARG (0.43) SMN1; SMN2KMT2AMAPTPTPN1PPARG
SCHEMBL13810562 0.89 PPARG (0.42) SMN1; SMN2GAAKMT2AMAPTMEN1
SCHEMBL13810553 0.89 PPARG (0.45) SMN1; SMN2KMT2AMAPTMEN1PPARG
SCHEMBL13810563 0.89 MTNR1B (0.46) SMN1; SMN2GAAKMT2AMAPTMEN1
SCHEMBL4331640 0.88 PPARG (0.42) SMN1; SMN2GAAKMT2AMAPTMEN1
SCHEMBL13810572 0.88 KMT2A (0.43) SMN1; SMN2KMT2AMAPTMEN1PPARG
SCHEMBL4339249 0.87 SMN1; SMN2 (0.46) SMN1; SMN2FPR2GAAKMT2AMAPT
SCHEMBL4337066 0.86 SMN1; SMN2 (0.56) SMN1; SMN2FPR2KMT2AMAPTMEN1
SCHEMBL4334617 0.86 ALDH1A1 (0.41) SMN1; SMN2KMT2AMAPTMEN1PPARG

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-20040102634-A1 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-05-27 US disclosed
EP-1380562-A1 CARBOXYLIC ACID DERIVATIVE AND SALT THEREOF Eisai Co., Ltd. (JP) 2004-01-14 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040102634-A1 Carboxylic acid derivative and salt thereof GPR119, IRS1, SLC5A1 SMN1; SMN2 3054/4885FPR2 632/4885GAA 2303/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.